N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-methoxy-phenyl]-4-ethylsulfanyl-4-methyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-methoxy-phenyl]-4-ethylsulfanyl-4-methyl-3-oxidanylidene-pentanamide Openeye Name: N-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-methoxy-phenyl]-4-ethylsulfanyl-4-methyl-3-oxo-pentanamide CAS Name: N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-methoxyphenyl]-4-(ethylthio)-4-methyl-3-oxopentanamide IUPAC Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-methoxyphenyl]-4-ethylsulfanyl-4-methyl-3-oxopentanamide Traditional Name: N-[5-[2-(2,4-ditert-amylphenoxy)butanoylamino]-2-methoxy-phenyl]-4-(ethylthio)-3-keto-4-methyl-valeramide Formula: C35H52N2O5S MolecularWeight: 612.86278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC(=O)C(C)(C)SCC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC(=O)C(C)(C)SCC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C35H52N2O5S/c1-12-27(42-28-18-16-23(33(5,6)13-2)20-25(28)34(7,8)14-3)32(40)36-24-17-19-29(41-11)26(21-24)37-31(39)22-30(38)35(9,10)43-15-4/h16-21,27H,12-15,22H2,1-11H3,(H,36,40)(H,37,39)